- InChI
- InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3
- InChI Key
- AKASWINDKIEEBO-UHFFFAOYSA-N
- Formula
- C10H14O2
- SMILES
- CC(C)=C1CCC2(C)OC2C1=O
- Molecular Weight1
- 166.22
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -34.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -298.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.33 | kJ/mol | Joback Calculated Property |
| log10WS | -2.24 | Crippen Calculated Property | |
| logPoct/wat | 1.843 | Crippen Calculated Property | |
| McVol | 133.180 | ml/mol | McGowan Calculated Property |
| Pc | 3127.99 | kPa | Joback Calculated Property |
| Inp | [1371.00; 1371.00] |
|
|
| Inp | 1371.00 | NIST | |
| Inp | 1371.00 | NIST | |
| Tboil | 547.48 | K | Joback Calculated Property |
| Tc | 780.47 | K | Joback Calculated Property |
| Tfus | 349.91 | K | Joback Calculated Property |
| Vc | 0.511 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.24; 419.57] | J/mol×K | [547.48; 780.47] |
|
| Cp,gas | 336.24 | J/mol×K | 547.48 | Joback Calculated Property |
| Cp,gas | 352.30 | J/mol×K | 586.31 | Joback Calculated Property |
| Cp,gas | 367.27 | J/mol×K | 625.14 | Joback Calculated Property |
| Cp,gas | 381.33 | J/mol×K | 663.97 | Joback Calculated Property |
| Cp,gas | 394.62 | J/mol×K | 702.80 | Joback Calculated Property |
| Cp,gas | 407.32 | J/mol×K | 741.64 | Joback Calculated Property |
| Cp,gas | 419.57 | J/mol×K | 780.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Piperitenone oxide.
Sources
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